6-(4-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)carbonyl-4-methyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-(4-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)carbonyl-4-methyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-(4-chlorophenyl)-1-(3,5-dimethylpyrazole-1-carbonyl)-4-methyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-(4-chlorophenyl)-1-[(3,5-dimethyl-1-pyrazolyl)-oxomethyl]-4-methyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-(4-chlorophenyl)-1-(3,5-dimethylpyrazole-1-carbonyl)-4-methylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-(4-chlorophenyl)-1-(3,5-dimethylpyrazole-1-carbonyl)-4-methyl-cyclohex-3-ene-1-carboxylic acid Formula: C20H21ClN2O3 MolecularWeight: 372.84534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C2=CC=C(C=C2)Cl)(C(=O)N3C(=CC(=N3)C)C)C(=O)O

Isomeric SMILES

CC1=CCC(C(C1)C2=CC=C(C=C2)Cl)(C(=O)N3C(=CC(=N3)C)C)C(=O)O

InChI

InChI=1S/C20H21ClN2O3/c1-12-8-9-20(19(25)26,18(24)23-14(3)11-13(2)22-23)17(10-12)15-4-6-16(21)7-5-15/h4-8,11,17H,9-10H2,1-3H3,(H,25,26)